1. A Theoretical Study of Molecular Structure in the Excited State and Molecular Luminescence. Part II. An SCF-CI Calculation of Luminescence and Molecular Structure in Equilibrium Excited States of Some Compounds with Strong Bond Alternation

F. Fratev, A. Tadjer

J. Mol. Struc. 27 (1975) 185-193

2. Band Structure of Molecular Aggregates of Cyanine Dyes

N. Tyutyulkov, A. Tadjer, F. Dietz

Bulg. Acad. Sci., Commun. Dept. Chem., 12 (1979) 388-391

3. Application of the Frontier MO’s of the Unit Cell for the Study of the Energy Spectrum of Polymer Systems

N. Tyutyulkov, A. Tadjer, F. Dietz

Bulg. Acad. Sci., Commun. Dept. Chem., 12 (1979) 633-640

4. Quantum Chemical Investigations on Dye Aggregates. XI. Band Structure of Molecular Aggregates of Cyanine Dyes

N. Tyutyulkov, A. Tadjer, F. Dietz

Journal of Imaging Science, 7 (1979) 323-325

5. Studies of the Energy Spectrum of a,w-Substituted Polymethine Chains II. Polymethine Chains with Odd Number of Methine Groups

N. Tyutyulkov, F. Dietz, J. Fabian, A. Mehlhorn, A. Tadjer

Theoret. Chim. Acta (Berl.), 60 (1981) 185-200

6. Stereoisomerization of Streptocyanines

F. Dietz, W. Foerster, C. Weiss, A. Tadjer, N. Tyutyulkov

Journal of Imaging Science, 9 (1981) 177-190

7. Band Structure and Local States in Silver Halide Crystals

N. Tyutyulkov, A. Tadjer, F. Dietz, J. Reinhold

CR Acad. Bulg. Sci., 36 (1983) 1073-1076

8. Quantum-chemical Model for the Photoisomerization of Protonated Schiff Bases of Formaldehyde and Acrolein

F. Dietz, A. Tadjer, N. Tyutyulkov

Chem. Phys. Lett., 99 (1983) 120-121

9. Band Structure and Local States of Crystals of Silver Halides. I. Local States Arising Upon Adsorption of Ions

N. Tyutyulkov, A. Tadjer, F. Dietz, J. Reinhold

Journal of Imaging Science, 12 (1984) 351-358

10. Quantum Chemical Investigations of Mechanisms of the Photographic Process. AgBr Model Clusters for the Adsorption of Silver

F. Dietz, C. Gruentzig, A. Koch, R. Essbach, J. Reinhold, N. Tyutyulkov, A.Tadjer

Bull. Jap. Soc. of Printing Sci. and Technology, 21 (1984)129-138

11. Regeln fuer qualitative Charakterisierung der Energie und der

Elektronenstruktur der Grundzustansberrieren und der nichtspektroskopischen Minima bei der trans-cis-Isomerisierung von Polymethinen und polaren Polyenen

F. Dietz, J. Fabian, A. Mehlhorn, A. Tadjer, N. Tyutyulkov

Wiss-Z. Karl-Marx-Univ. Leipzig, Math. Naturwiss.R., 33 (1984) 390-396

12. A Quantum-chemical Model for the Photoisomerization of Protonated Schiff Bases of Some Polyenals

F. Dietz, A. Tadjer, N. Tyutyulkov

Bulg. Acad. Sci., Commun. Dept. Chem., 19 (1986) 284-289

13. Quantum Chemical Investigations of the Mechanism of the Photographic Process. III. A Model of Growth and Structure of the Latent Image

F. Dietz, A. Koch, C. Nieke, R. Richter, J. Reinhold, A. Tadjer, N. Tyutyulkov

J. Imag. Sci., 30 (1986) 146-150

14. 3-Phenylpyrazolo(3,4-c)pyridine and Derivatives: Structure Determination

R. Radinov, M. Haimova, A. Tadjer, E. Simova, Sv. Simova

J. Mol. Struct., 158 (1987) 99-108

15. On the Energy Spectrum of Polymethines

F. Dietz, N. Tyutyulkov, A. Tadjer

J. Inf. Rec. Mater. 17 (1989) 251-265

16. Band Structure of Poly(perinaphthalene)

N. Tyutyulkov, A. Tadjer, I. Mincheva

Synthetic Metals, 38 (1990) 313-317

17. Structure and Energy Spectra of Molecules Containing Anti-Aromatic Ring Systems. Part 2. Energy Spectra and Stabilization of Systems Containing the Anti-Aromatic Cycloheptatrienide Anion

F. Dietz, M. Rabinovitz, A. Tadjer, N. Tyutyulkov

J. Chem. Soc. Perkin Trans. 2, (1995) 735-739

18. Structure and Energy Spectra of Molecules Containing Anti-Aromatic Ring Systems III. Anti-Aromaticity of Ion Radicals of Benzene and Substituted Benzenes

F. Dietz, M. Rabinovitz, A. Tadjer, N. Tyutyulkov

Z. Physikal. Chem., 191 (1995) 15-22

19. A Novel Class of High-Spin Organic Polymers

N. Tyutyulkov, A. Tadjer, G. Madjarova

Bulg. Chem. Commun., 28 (1995) 418-427

20. A New Approach to the Study of Oxidative Polymerization of Aniline and Transformations of Polyaniline. Support by Means of the Hueckel Method

N. Gospodinova, L. Terlemezian, P. Mokreva, A. Tadjer

Polymer 37 (1996) 4431-4433

21. Vinylidene - a New Ferromagnetic Coupler in One-Dimensional High-Spin Polymers

N. Tyutyulkov, A. Tadjer, G. Madjarova, F. Dietz

Bulg. Chem. Commun., 29 (1996/1997) 683-691

22. Organic Polymers with Indirect Magnetic Interaction

N. Tyutyulkov, G. Madjarova, A. Tadjer

Ann. de l’Univ. de Sofia, 89 (1997) 195-201

23. Calculated and Experimental Spectra of Some 1,8-Naphthalimide Derivatives

I. Karamancheva, A. Tadjer, Tz. Philipova, G. Madjarova, Ch. Ivanova, T. Grozeva

Dyes and Pigments, 36 (1998) 273-285

24. Energy Spectra of [N]Phenylenes

N. Tyutyulkov, A. Tadjer, G. Madjarova

Ann. de l’Univ. de Sofia, 90 (1998) 21-26

25. Jahn-Teller Distortion of the Ionradicals of Large Aromatic Hydrocarbons

A. Tadjer, G. Madjarova, F. Dietz

Bulg. Chem. Ind., 71 (2000) 36-38

26. Structure and Energy Spectrum of One-Dimensional Polymers

N. Tyutyulkov, A. Tadjer

Ann. de l’Univ. de Sofia, 88 (2000) 47-54

27. Photosensitivity of Aniline Polymerisation

A. Tadjer, N. Gospodinova, G. Madjarova, L. Terlemezian, P. Mokreva

Bulg. Chem. Commun., 32, (2000) 66-71

28. Homo- and Copolymerisation of Ring-Substituted Alkyl Anilines. Theoretical Estimation of Monomer Reactivity

N. Gospodinova, A. Tadjer, G. Madjarova, P. Mokreva, L. Terlemezian

Bulg. Chem. Commun., 32 (2000) 72-79

29. Band Structure of One-Dimensional Graphite

A. Tadjer, G. Madjarova

Ann. de l’Univ. de Sofia, 91, (2001) 51-56

30. Synthesis, Identification and Structure of 3-Amino-2-phenyl-pyrazolo-4-amide and Thioamide

J. Velkov, A. Tadjer, A. Ivanova, D. Sidzhakova

Ann. de l’Univ. de Sofia, 91 (2001) 203-211

31. Structure and Energy Spectra of Large Polybenzenoid Hydrocarbons with Different Edge Structures

N. Tyutyulkov, A. Ivanova, A. Tadjer, K. Muellen, M. Baumgarten

Bulg. Chem. Ind., 72 (2001) 110-116

32. A Theoretical Study of Model Lipid Monolayers

A. Ivanova, A. Tadjer, B. Radoev, I. Panayotov

SAR QSAR Environm. Res., 13 (2002) 237-241

33. Theoretical Study of Insoluble Polymer Monolayers

A. Ivanova, A. Tadjer, B. Radoev

Int. J. Quant. Chem., 89 (2002) 397-404

34. Is 2D Graphite an Ultimate Large Hydrocarbon? III. Structure and Energy Spectra of Large Polybenzenoid Hydrocarbons with Different Edge Structures

N. Tyuytulkov, K. Muellen, M. Baumgarten, A. Ivanova, A. Tadjer

Synthetic Metals, 139 (2003) 99-107

35. Magnetic Interactions in Non-alternant Mixed Molecular Radical Crystals and Mixed Ion Radical Crystals

I. Minkov, A. Tadjer

Int. J. Quant. Chem., 99 (2004) 667-676

36. Polymethine-Structural Principles of p-Conjugated Systems with Non-bonding Molecular Orbitals

N. Tyuytulkov, F. Dietz, A.Tadjer

MATCH Commun. Math. Comput. Chem., 53 (2005) 99-109

37. Selectivity Descriptors for the Michael Addition Reaction as Obtained from Density Functional Based Approaches

G. Madjarova, A. Tadjer, T. P. Cholakova, A. A. Dobrev, T. Mineva

J. Phys. Chem. A., 109 (2005) 387-393

38. Hydrophilic Interactions between Organic and Water Molecules as Models for Monolayers at the Gas/Water Interface

A. Ivanova, A. Tadjer, N. Tyutyulkov, B. Radoev

J. Phys. Chem. A, 109 (2005) 1692-1702

39. Relationship between Molecular Characteristics and Biodegradation Rate of Benzene Derivatives

K. Chuchev, A. Tadjer, N. Nikolova, V. Nenov

Oxid. Commun., 28 (2005) 837-846

40. Effect of Solvation and Intermolecular Interactions on the Structure and Optical Properties of PANI oligomers

A. Ivanova, G. Madjarova, A. Tadjer, N. Gospodinova

Int. J. Quant. Chem., 106 (2006) 1383-1395

41. Theoretical Study of the Influence of Monomer Excess on the Structure and Properties of Polyaniline Oligomers

A. Ivanova, A. Tadjer, N. Gospodinova

J. Phys. Chem. B, 110 (2006) 2555-2564

42. Quantum-chemical Investigations of 5-bromo-2’-deoxyuridine Derivatives with Antiviral Activity

Zh. Velkov, Y. Velkov, A. Tadjer, I. Stankova

Collect. Czech. Chem. Commun. (ChemPlusChem since 2012) 71 (2006) 691–697

43. Theoretical Study on the Structure and Electronic Spectra of Fully Protonated Emeraldine Oligomers

H. Zhekova, A. Tadjer, A. Ivanova, J. Petrova, N. Gospodinova

Int. J. Quant. Chem. 107 (2007) 1688-1706

44. Exploratory Study of Dielectric Properties of Insoluble Monolayers: Molecular Models

A. Tadjer, A. Ivanova, Y. Velkov, S. Tzvetanov, M. Gotsev, B. Radoev

Int. J. Quant. Chem. 107 (2007) 1719-1735

45. First Principles Study on the Structure of Conjugated Amides and Thioamides

Zh. Velkov, Y. Velkov, E. Balabanova, A. Tadjer

Int. J. Quant. Chem. 107 (2007) 1765-1771

46. A New Class of Non-Kekule Radical Polymethines: Theoretical Study

N. Tyutyulkov, N. Drebov, A. Staykov , A. Tadjer

Int. J. Quant. Chem. 107 (2007) 1396-1404

47. Evidence for Generation of Delocalized Polarons in Conducting Polyaniline: a Raman Scattering Spectroscopy Approach

N. Gospodinova, S. Dorey, A. Ivanova, H. Zhekova, A. Tadjer

Int. J. Polym. Anal. Charact. 12 (2007) 251-271

48. Radical Scavenging Activity Prediction of o-Coumaric Acid Thioamide

Z. Velkov, E. Balabanova, A. Tadjer

J. Molec. Struct. THEOCHEM 821 (2007) 133-138

49. Modeling and Statistical Analysis of DPPH Scavenging Activity of Phenolics

Z. Velkov, M. Kolev, A. Tadjer

Collect. Czech. Chem. Commun. (QhemPlusChem since 2012) 72 (2007) 1461–1471

50. Study of Species-specific Carcinogenicity of Benzene Derivatives 1. Combination of CoMFA and GRID Analysis

F. Fratev, E. Mihayova, A. Tadjer, E. Benfenati

Oxid. Commun. 30 (2007) 891-911

51. Study of Species-specific Carcinogenicity of Benzene Derivatives 2. Combination of Docking and Local Binding Energy (LBE) Analysis

F. Fratev, E. Mihayova, A. Tadjer, E. Benfenati

Oxid. Commun. 30 (2007) 912-926

52. Quantum-chemical Approach to Silybin A and Silybin B Antioxidant Activity Investigation

Zh. Velkov, A. Tadjer

Annual of Konstantin Preslavsky University, Shumen, Faculty of Natural Sciences, 28 B2 (2007) 178-187

53. Molecular Modelling and Statistical Analysis of Scavenging/Antioxidant Activity of Phenolic Compounds

Zh. Velkov, M. Kolev, A. Tadjer

Proc. XIV Natl. Congress Appl. Mathematics in Biology and Medicine (2008) 134-139

54. Anticancer Activity of Spin-Labeled Nitrosoureas as a Function of the LUMO Energy

M. Kolev, A. Tadjer, Zh. Velkov

IEEE Proc. HSI 2008 (2008) 557-559

55. Dielectric Properties Tangential to the Interface in Model Insoluble Monolayers – Theoretical Assessment

P. G. Shushkov, S. A. Tzvetanov, A. N. Ivanova, A. V. Tadjer

Langmuir, 24 (2008) 4614-4624

56. Unprecedented Route to Ordered Polyaniline: Direct Synthesis of Highly-Crystalline Fibrillar Films with Strong pi-pi Stacking Alignment

N. Gospodinova, D. A. Ivanov, D. V. Anokhin, I. Mihai, L. Vidal, S. Brun, J. Romanova, A. Tadjer

Macromolec. Rapid Commun., 30 (2009) 29-33

57. Melatonin: Quantum-chemical and Biochemical Investigation of Antioxidant Activity

Zh. Velkov, Y. Velkov, B. Galunska, D. Paskalev, A. Tadjer

Eur. J. Medicinal Chem., 44 (2009) 2834-2839

58. An In-depth Theoretical Approach to the Design of Hybrid-Spin Systems

J. Romanova, T. Miteva, A. Ivanova, A. Tadjer, M. Baumgarten

Phys. Chem. Chem. Phys., 11 (2009) 9545–9555

59. **Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers

J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer

Prog. Theor. Chem. Phys., 20 (2009) 219-251

60. Stability of oligonucleotides as a criterion for resistance of the genetic code

I. Trenchev, P. Milanov, Zh. Velkov, N. Pencheva, A. Tadjer

Scientific Research Journal of South-West University, 2 (2009) 11-19

61. Theoretical study on the structural aspects of Cu(II) hybrid-spin complexes

T. Miteva, J. Romanova, A. Ivanova, A. Tadjer, M. Baumgarten

Eur. J. Inorg. Chem. (2010) 379-390

62. Polyaniline-Water Interactions: a Theoretical Investigation with the Polarisable Continuum Model

J. Romanova, J. Petrova, A. Tadjer and N. Gospodinova

Synth. Metals 160 (2010) 1050-1054

63. Theoretical study on the emeraldine salt - impact of the computational protocol

J. Romanova, J. Petrova, A. Ivanova, A. Tadjer, N. Gospodinova

Journal of Molecular Structure (THEOCHEM) 954 (2010) 36-44

64. Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers – size effect

S. Tzvetanov, Ph. Shushkov, M. Velinova, A. Ivanova, A. Tadjer

Langmuir, 26 (2010) 8093-8105

65. Structural Aspects of Lipid Monolayers: Computer Simulation Analyses

Ph. Shushkov, S. Tzvetanov, M. Velinova, A. Ivanova, A. Tadjer

Langmuir, 26 (2010) 8081-8092

66. Boron–nitrogen- and boron-substituted anthracenes and –phenanthrenes as models for doped carbon-based materials

M. Velinova, V. Georgiev, T. Todorova, G. Madjarova, A. Ivanova, A. Tadjer

Journal of Molecular Structure (THEOCHEM) 955 (2010) 97-108

67. Systematic theoretical study of Li adsorption on stable BN- and B-substituted aromatic hydrocarbons

M. Velinova, G. Madjarova, A. Ivanova, A. Tadjer

Journal of Molecular Structure (THEOCHEM) 955 (2010) 109-122

68. Solvent Polarity and Dopant Effect on the Electronic Structure of the Emeraldine Salt

J. Romanova, G. Мadjarova, A. Tadjer, N. Gospodinova

International Journal of Quantum Chemistry 111 (2011) 435-443

69. Coarse-Grained Molecular Dynamics Simulation of Micelle Formation for Peptide Encapsulation Purposes

M. Velinova, D. Sengupta, S. J. Marrink, A. Tadjer

Science and Supercomputing in Europe; Research Highlights 2010, HPC-Europa2 Report 2010, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia, p.57

70. **Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations

M. Velinova, Y. Tsoneva, Ph. Shushkov, A. Ivanova, A. Tadjer

in: Progress in Theoretical Chemistry and Physics, 22, Advances in the Theory of Quantum Systems in Chemistry, P.E. Hoggan et al. (eds.), Chapter 26, pp.461-480

DOI 10.1007/978-94-007-2076-3 26, © Springer Science+Business Media B.V. 2011

71. Fully Doped Oligomers of Emeraldine Salt – Polaronic versus Bipolaronic Configuration

J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer

J. Phys. Chem. B, DOI: 10.1021/jp111914n; 115 (2011) 3765-3776

72. Sphere-to-Rod Transitions of Nonionic Surfactant Micelles in Aqueous Solution Modeled by Molecular Dynamics Simulations

M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink

Langmuir 27 (2011) 14071–14077, DOI: 10.1021/la203055t

73. Penetration of an Antimicrobial Peptide into a Model Cell Membrane - Coarse-Grained Molecular Dynamics Simulations

M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink

Science and Supercomputing in Europe; Research Highlights 2011, HPC-Europa2 Report 2011, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia, p.30

74. Estimation of the Mutual Orientation and Intermolecular Interaction of C12Ex from MD Simulations

Maria Velinova, Y. Tsoneva, A. Ivanova, A. Tadjer

J. Phys. Chem. B 116 (2012) 4879−4888

75. Absorption Spectra of Model Single Chains of Conducting Polyaniline

J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer

JPC B 116 (2012) 6543−6552

76. Coarse-grained molecular dynamics simulation of model cell membrane permeabilization by Protegrin

M. Velinova, A. Tadjer, S.-J. Marrink

Science and Supercomputing in Europe; Research Highlights 2012, HPC-Europa2 Report 2012, Chem0993, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia,

77. Estimation of the influence of environmental effects on the properties of conducting polyaniline - the presence of explicit water molecules

J. Petrova, A. Tadjer, I. Ciofini, C. Adamo

Science and Supercomputing in Europe; Research Highlights 2012, HPC-Europa2 Report 2012, Chem1186, Ed. Silvia Monfardini, CINECA Consorzio Interuniversitario, Bolonia,

78. Structure and Aggregation Proclivity of C12E3 in Aqueous Solution

Ts. Zahariev, A. Ivanova, M. Velinova, A. Tadjer

CHEMPHYS 410 (2013) 1-8

79. Magnetostructural Correlation in Mn(II) Hybrid-spin Complexes – Effect of Ligands and Geometry

A. Ivanova, J. Romanova, A. Tadjer, M. Baumgarten

JPC A 117 (2013) 670-678

80. Conformation of arenicin AMPs at a polar/nonpolar interface

Maria Velinova, N. Ilkova, A. Tadjer

Nanoscience and Nanotechnology 13 (2013) 20-25

81. Structure of flavones and flavonoles. Part I: Role of substituents on the planarity of the system

Ts. Todorova, Zh. Velkov, A. Tadjer,

Computational and Theoretical Chemistry 1017 (2013) 85-90 doi.org/10.1016/j.comptc.2013.05.005

82. Tuning the Optical Absorption of Potential Blue Emitters

G. Valchanov, A. Ivanova, A. Tadjer, D. Chercka, M. Baumgarten

Organic Electronics 14 (2013) 2727-2736

83. Fully atomistic molecular-mechanical model of liquid alkane oils: A Computational validation

Ts. K. Zahariev, R. I. Slavchov, A. V. Tadjer, A. N. Ivanova

Journal of Computational Chemistry 35 (2014) 776-788

84. Как комбинацията от класическия и квантовия подход донесе Нобелова награда по химия

Цв. Захариев, А. Таджер

Природа (2013) бр. 5, 15-19

85. Атомистични водни модели (обзор)

Я. Цонева, А. Таджер

Bulg. J. Chem. 3 (2014) 65-93

86. Molecular Structure and Pronounced Conformational Flexibility of Doxorubicin in Free and Conjugated State within a Drug-Peptide Compound

Y. Tsoneva, H. Jonker, M. Wagner, A. Tadjer, M. Lelle, K. Peneva, A. Ivanova

J. Phys. Chem. B 119 (2015) 3001−3013, DOI: 10,1021/jp509320q

87. Synthesis and characterization of terbium(III) complexes with the biscoumarin derivative 3,3′-[(4-hydroxyphenyl)methyl]bis-(4-hydroxy-2H-chromen-2-one)

D. Elenkova, R. Monov, A. Tadjer, I. Manolov, M. Milanova

J. Molec. Struc. 1106 (2016) 491-500 (DOI: 10.1016/j.molstruc.2015.10.026)

88. Transfer of non-ionic surfactants across the water-oil interface: A molecular dynamics study

Tz. Zahariev, A. Tadjer, A. Ivanova

Colloids and Surfaces A 506 (2016) 20-31 (http://dx.doi.org/10.1016/j.colsurfa.2016.06.003)

89. NMR characterization of dilauroyl phosphatidylcholine in adsorbed monolayers at fluid interfaces studied by multiscale computations

Y. Tsoneva, A. Tadjer, Tz. Mineva

Int. J. Quant. Chem. 116 (2016) 1419-1426 (DOI 10.1002/qua.25198)

90. Understanding the Fluorescence of TADF Light-Emitting Dyes,

G. Valchanov, A. Ivanova, A. Tadjer, D. Chercka, M. Baumgarten

J. Phys. Chem. A, 120 (2016) 6944–6955 (DOI: 10.1021/acs.jpca.6b06680)

91. **Water structuring at non-polar fluid interfaces

Y. Tsoneva, A. Tadjer,

Prog. Theor. Chem. Phys. 30 (2017) 119-138 (DOI 10.1007/978-3-319-50255-7_7)

92. Density Functional Theory Assessment of the Environment Polarity Effect on Polyaniline-Water Coupling

J. Petrova, A. Ivanova, A. Tadjer

J. Phys. Chem. A 121 (2017), 6327–6335, DOI: 10.1021/acs.jpca.7b04663

93. Impact of hydroxylation on the photophysics of chalcones: insights on the relation between chemical composition and electronic structure

D. A. Kalchevski, V. Petrov, A. Tadjer, A. Nenov

Phys. Chem. Chem. Phys. 20 (2018) 8924-8934 (https://doi.org/10.1039/c8cp00602d)

94. Different pathways of the para-O-H bond dissociation in di- and trihydroxyphenolic acids: a DFT investigation

Zh. A. Velkov, L. P. Muteva, A. Tadjer

Bulg. Chem. Commun. 50C (2018) 308 – 314.

95. In Silico SAR Studies of HIV-1 Inhibitors

I. Hdoufane, I. Bjij, M. Soliman, A. Tadjer, D. Villemin, J. Bogdanov, D. Cherqaoui

MDPI: Pharmaceuticals 11 (2018) 69, 14 pages; DOI:10.3390/ph11030069

96. Topology Dependent Dissociation Mode of the O-H Bond in Monohydroxycoumarins

Zh. A. Velkov, M. Traykov, I. Trenchev, L. Saso, A. Tadjer

J. Phys. Chem. A 123 (2019) 5106-5113, DOI: 10.1021/acs.jpca.9b00535

97. QSAR and Molecular Docking Studies of Indole-based Analogs as HIV-1 Attachment Inhibitors

I. Hdoufane, J. Stoycheva, A. Tadjer, D. Villemin, M. Najdoska-Bogdanov, J. Bogdanov, D. Cherqaoui

J. Molecular Structure 1193 (2019) 429-443, DOI: 10.1016/j.molstruc.2019.05.056

98. Insight into the Function of Electrode and Electrolyte Materials in a Hybrid Lithium-Sodium Ion Cell

M. Kalapsazova, H. Rasheev, E. Zhecheva, A. Tadjer, R. Stoyanova

J. Phys. Chem. C, 123 (2019) 11508-11521, DOI: 10.1021/acs.jpcc.9b01993.

99. Boron-Doped Polycyclic Aromatic Hydrocarbons: A Molecular Set Revealing the Interplay between Topology and Singlet Fission Propensity

J. Stoycheva, A. Tadjer, M. Garavelli, M. Spassova, A. Nenov, J. Romanova

J. Phys. Chem. Lett. 11 (2020) 1390-1396, DOI: 10.1021/acs.jpclett.9b03406.

100. Fundamental promise of anthraquinone functionalized graphene based next generation battery electrodes: a DFT study

H. G. Rasheev, R. B. Araujo, A. Tadjer, P. Johansson

J. Mater. Chem. A, 8, (2020), 14152-14161, DOI: 10.1039/D0TA04780E.

101. Topology Delimited Radical-Scavenging Propensity of Monohydroxycinnamic Acids

L. Borislavov, Zh. A. Velkov, A. Tadjer

Int. J. Quant. Chem. 120 (2020) 1-9, DOI: 10.1002/qua.26329

102. Singlet fission chromophores for organic solar cells: chemical database from quantum-chemical calculations

L. Borislavov, M. Nedyalkova, R. Lyapchev, G. Kostadinova, J. Stoycheva, I. Kichev, V. Petrov, A. Tadjer and J. Romanova

Proceedings of the ICEESEN 2020, “International Conference on Energy, Environment and Storage of Energy”

103. Dual‐Metal Electrolytes for Hybrid Ion Batteries: Synergism or Antagonism?

H. Rasheev, R. Stoyanova, A. Tadjer

ChemPhysChem., 22 (2021) 1110-1123, DOI: 10.1002/cphc.202100066

104.Women in the singlet fission world: pearls in a semi-open shell

J. Stoycheva, A. Tadjer, J. Romanova

MDPI-Molecules, 26 (2021) 2922, DOI: https://doi.org/10.3390/molecules26102922

105. The interplay between diradical character and stability in organic molecules

V. Petakova, M. Nedyalkova, J. Stoycheva, A. Tadjer, J. Romanova

MDPI-Symmetry, 13 (2021) 1448 (11 pages), DOI: https://doi.org/10.3390/ sym13081448

106. Rivalry at the Interface: Ion Desolvation and Electrolyte Degradation in Model Ethylene Carbonate Complexes of Li+, Na+, and Mg2+ with PF6– on the Li4Ti5O12 (111) Surface

H. Rasheev, R. Stoyanova, A. Tadjer

ACS Omega, 6, 44, (2021) 29735–29745; https://doi.org/10.1021/acsomega.1c04161

107. Automated generation of molecular derivatives – DerGen software package

Ilia Kichev, Lyuben Borislavov, Alia Tadjer

Materials Today Proceedings, 61(4) (2022) 1287-1291, https://doi.org/10.1016/j.matpr.2022.04.628

108. Mononuclear copper(II) complexes of the macrolide antibiotics tylosin and tilmicosin

Radoslava D. Stambolyiska, Nikolay N. Petkov, Alia V. Tadjer, Svetlana D. Simova, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov, Ivayla Pantcheva

Transition Metal Chemistry, 47 (2022) 67-76, https://doi.org/10.1007/s11243-022-00491-x

109. Redox Hyperactive MOF for Li+, Na+ and Mg2+ Storage

H. Rasheev, Agnieszka Seremak, R. Stoyanova, A. Tadjer

MDPI – Molecules, 27(3) (2022) 586; https://doi.org/10.3390/molecules27030586

110. Dinuclear vs. mononuclear copper(II) coordination species of tylosin and tilmicosin in non-aqueous solutions

Ivayla Pantcheva, Radoslava D. Stambolyiska, Nikolay N. Petkov, Alia V. Tadjer, Svetlana D. Simova, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov

MDPI - Molecules, 27(12) (2022) 3899, https://doi.org/10.3390/molecules27123899

111. Molecular Engineering of Quinone‐Based Nickel Complexes and Polymers for All‐Organic Li‐Ion Batteries

Y. Danchovski, H. Rasheev, R. Stoyanova, A. Tadjer

MDPI – Molecules, 27 (2022) 6805; https://doi.org/10.3390/ molecules27206805

112. In Situ Electron Paramagnetic Resonance Monitoring of Predegradation Radical Generation in a Lithium Electrolyte

R. Kukeva, M. Kalapsazova, H. Rasheev, G. Vassilev, A. Tadjer, R. Stoyanova

J. Phys. Chem. Lett. 14 (2023) 9633-9639, DOI: 10.1021/acs.jpclett.3c02374.

113. Machine Learning-Based Screening for Potential Singlet Fission Chromophores: The Challenge of Imbalanced Data Sets

L. Borislavov, M. Nedyalkova, A. Tadjer, O. Aydemir, J. Romanova

J. Phys. Chem. Lett. 14 (2023) 10103-10112, DOI: 10.1021/acs.jpclett.3c02365.

114. Machine Learning Prediction of the Redox Activity of Quinones

I. Kichev, L. Borislavov, A. Tadjer, R. Stoyanova

MDPI-Materials 16 (2023) 6687, DOI: 10.3390/ma16206687.

115. Experimental and DFT Study of Monensinate and Salinomycinate Complexes Containing {Fe3(µ3–O)}7+ Core

Nikolay N. Petkov, Alia V. Tadjer, Elzhana Encheva, Zara Cherkezova-Zheleva, Daniela Paneva, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov, Ivayla Pantcheva,

MDPI - Molecules, 29 (2024) 364, https://doi.org/ 10.3390/molecules29020364

116. Synthesis, Spectral Characterization, and Structural Modelling of Di- and Trinuclear Iron(III) Monensinates with Different Bridging Patterns

Nikolay N. Petkov, Alia V. Tadjer, Svetlana Simova, Zara Cherkezova-Zheleva, Daniela Paneva, Radostina K. Stoyanova, Rositza R. Kukeva, Petar D. Dorkov, Ivayla Pantcheva,

MDPI – Inorganics, 12 (2024) 114. https://doi.org/10.3390/inorganics12040114

** book chapter

Monograph

POLYMETHINE DYES / Structure and Properties, N.Tyutyulkov, J.Fabian, A.Mehlhorn, F.Dietz, A.Tadjer, St.Kliment Ohridski University Press, Sofia, 1991 (in English)